U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C18H20N4O2
Molecular Weight 324.377
Optical Activity UNSPECIFIED
Additional Stereochemistry Yes
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0
Stereo Comments AXIAL, S

SHOW SMILES / InChI
Structure of Lunresertib

SMILES

CC1=CC=C(O)C(C)=C1N2C(N)=C(C(N)=O)C3=CC(C)=C(C)N=C23

InChI

InChIKey=ARBRHWRTXPWZGN-UHFFFAOYSA-N
InChI=1S/C18H20N4O2/c1-8-5-6-13(23)10(3)15(8)22-16(19)14(17(20)24)12-7-9(2)11(4)21-18(12)22/h5-7,23H,19H2,1-4H3,(H2,20,24)

HIDE SMILES / InChI
Molecular Formula C18H20N4O2
Molecular Weight 324.377
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
139594
Substance Class Chemical
Created
by admin
on Sat Dec 16 18:24:34 GMT 2023
Edited
by admin
on Sat Dec 16 18:24:34 GMT 2023
Record UNII
N95U3A7N57
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Lunresertib
USAN  
Official Name English
RP6306
Code English
RP-6306
Code English
LUNRESERTIB [USAN]
Common Name English
1H-Pyrrolo[2,3-b]pyridine-3-carboxamide, 2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5,6-dimethyl-, (1S)-
Code English
RP 6306 [WHO-DD]
Common Name English
(1S)-2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5,6-dimethyl-1H-Pyrrolo[2,3-b]pyridine-3-carboxamide
Systematic Name English
Code System Code Type Description
PUBCHEM
156869388
Created by admin on Sat Dec 16 18:24:34 GMT 2023 , Edited by admin on Sat Dec 16 18:24:34 GMT 2023
PRIMARY
SMS_ID
300000037662
Created by admin on Sat Dec 16 18:24:34 GMT 2023 , Edited by admin on Sat Dec 16 18:24:34 GMT 2023
PRIMARY
INN
13035
Created by admin on Sat Dec 16 18:24:34 GMT 2023 , Edited by admin on Sat Dec 16 18:24:34 GMT 2023
PRIMARY
CAS
2719793-90-3
Created by admin on Sat Dec 16 18:24:34 GMT 2023 , Edited by admin on Sat Dec 16 18:24:34 GMT 2023
PRIMARY
FDA UNII
N95U3A7N57
Created by admin on Sat Dec 16 18:24:34 GMT 2023 , Edited by admin on Sat Dec 16 18:24:34 GMT 2023
PRIMARY
USAN
KL-205
Created by admin on Sat Dec 16 18:24:34 GMT 2023 , Edited by admin on Sat Dec 16 18:24:34 GMT 2023
PRIMARY
Related Record Type Details
POTASSIUM VOLTAGE-GATED CHANNEL SUBFAMILY H MEMBER 2
OFF TARGET->NON-INHIBITOR
Patch clamp assay
IC50
MEMBRANE-ASSOCIATED TYROSINE- AND THREONINE-SPECIFIC CDC2-INHIBITORY KINASE
TARGET -> INHIBITOR
BRET binding assay
IN-VITRO
IC50
PLASMA PROTEIN FRACTION (HUMAN)
BINDER->LIGAND
BINDING
MEMBRANE-ASSOCIATED TYROSINE- AND THREONINE-SPECIFIC CDC2-INHIBITORY KINASE
TARGET -> INHIBITOR
Cellular assay
IC50
Related Record Type Details
Structure of Lunresertib
ACTIVE MOIETY
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966